SCHEMBL9733560

SCHEMBL9733560

CC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)=C(CO)C(C)(C)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAOA P21397 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
F10 P00742 1/20 0.39
FTO Q9C0B1 1/20 0.37
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
G6PD P11413 2/20 0.35
TLR9 Q9NR96 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PDK2 Q15119 1/20 0.34
LMNA P02545 2/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9737735 0.87 S100A4 (0.35) ALDH1A1SMN1; SMN2NPC1RAB9AF10
SCHEMBL8084222 0.87 ALDH1A1 (0.41) ALDH1A1MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL9734520 0.86
SCHEMBL9733518 0.82 FTO (0.31) SMN1; SMN2FTO
SCHEMBL9147909 0.82 NR1H4 (0.33) MAPTF10NPSR1
SCHEMBL9738703 0.82 CNR2 (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9732962 0.80 MAPT (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2NPC1
SCHEMBL9369702 0.80 ABCC9 (0.35) F10CYP1A2CYP2C19LMNA
SCHEMBL8085176 0.77 MAOA (0.42) ALDH1A1MAOAMEN1KMT2ASMN1; SMN2
SCHEMBL9372808 0.76 NPC1 (0.41) ALDH1A1MAOAMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5143924-A OXODIHYDROPYRIDYL CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed